Monomers

cis-Pent-2-enoic acid

Identifiers

IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.3118   -0.5712   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889    0.4071    0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0521    0.4521   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363    0.1292    0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    0.1565   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573    0.4977   -1.2618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838   -0.1872    0.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -0.4251   -1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -0.3077    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1398   -1.6024    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    1.3866    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.0405    1.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    0.7543   -1.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -0.1762    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992   -0.5540    0.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers